5750-2778 Screening compound: 1-(4-ethoxyphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione

5750-2778 Screening compound: 1-(4-ethoxyphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione
5750-2778 Screening compound: 1-(4-ethoxyphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2778
1-(4-ethoxyphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5750-2778

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

1-(4-ethoxyphenyl)-3-{[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione

IUPAC name

1-(4-ethoxyphenyl)-3-{[5-(3-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}pyrrolidine-25-dione

SMILES

CCOc(cc1)ccc1N(C(CC1Sc2nnc(-c3cc(C)ccc3)[nH]2)=O)C1=O

InChI

InChI=1S/C21H20N4O3S/c1-3-28-16-9-7-15(8-10-16)25-18(26)12-17(20(25)27)29-21-22-19(23-24-21)14-6-4-5-13(2)11-14/h4-11,17H,3,12H2,1-2H3,(H,22,23,24)/t17-/m0/s1

InChI Key

LNYWMOOANWIOGL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03294311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

1.691

Water Solubility, LogSw

-3.31

Polar Surface Area

68.788

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5750-2778 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5750-2778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2778?
Check Price and Availability of 5750-2778, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5750-2778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2778
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5750-2778 available by request